%chk=/home/valentin/Almacen/Insecticides/G4/Dinotefuran_R/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dinotefuran_R/ CONF15 water 0 1 O -3.7903005420 -0.7545090316 -0.6883250110 O 3.5003608817 0.0167739521 -0.9612879180 O 3.1331226263 -1.8385675723 0.0274821797 N -0.0125681927 1.1720066166 0.6223787605 N 1.7089022942 1.8864574200 -0.7006014008 N 1.6284444244 -0.3219586655 0.2352963760 N 2.7865581598 -0.7005517777 -0.2547037478 C -1.7085245845 -0.6267894982 0.3813916058 C -2.5539530391 -1.6595966372 1.1222895324 C -2.7961808977 0.1831802216 -0.3125848686 C -0.8248402586 0.1868828419 1.3108312039 C -3.7230628772 -1.8923069791 0.1703412237 C 1.1494244063 0.9200236516 0.0160374334 C 1.1234581821 3.1938298474 -0.8905431341 H -1.0880167811 -1.1253988644 -0.3697639249 H -2.9010826812 -1.2444254913 2.0722087995 H -2.0089691440 -2.5770309512 1.3411704840 H -3.2064536176 0.9345598554 0.3783784434 H -2.4536359567 0.7061449107 -1.2074844671 H -0.1825286027 -0.4662157515 1.8962579583 H -1.4486164229 0.7353869848 2.0179162766 H -3.5703202504 -2.7856883254 -0.4414409968 H -4.6686055027 -2.0155430823 0.7055390765 H -0.4584219912 2.0569825855 0.4355155493 H 2.5979391000 1.6756574250 -1.1256880412 H 1.7974371989 3.7761281459 -1.5099635630 H 0.9931391541 3.7236264754 0.0541379048 H 0.1609912118 3.1383701500 -1.4017942227 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G4/Dinotefuran_R/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Dinotefuran_R/ CONF15 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G4/Dinotefuran_R/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Dinotefuran_R/ CONF15 water 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G4/Dinotefuran_R/gaussian/water/CONF15/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Dinotefuran_R/ CONF15 water 0 1